General Information of the Compound
| Compound ID |
CP0466511
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| Compound Name |
1-[1-phenyl-2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
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| Structure |
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| Formula |
C22H30N2O4
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| Molecular Weight |
386.492
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| Canonical SMILES |
COc1cc(COCC(N2CCNCC2)c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H30N2O4/c1-25-20-13-17(14-21(26-2)22(20)27-3)15-28-16-19(18-7-5-4-6-8-18)24-11-9-23-10-12-24/h4-8,13-14,19,23H,9-12,15-16H2,1-3H3
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| InChIKey |
XZQROZSCHKOGLE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound